Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000424917 | Gold | 3 |
| CCMSLIB00000424918 | Gold | 3 |
COMPOUND NPA036669
PROPERTIES
| NPAID | NPA036669 |
|---|---|
| CLUSTER ID | 719 |
| NODE ID | 628 |
| NAME | 12-epi-Hapalindole D isothiocyanate |
| FORMULA | C21H24N2S |
| MOLECULAR WEIGHT (Da) | 336.5040 |
| ACCURATE MASS (Da) | 336.1660 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | welwitschii |
| InChIKey | PPHWDUZMWNUINO-CGRMTHRGSA-N |
| InChI | InChI=1S/C21H24N2S/c1-5-21(4)11-10-15(14(2)3)19(20(21)23-13-24)17-12-22-18-9-7-6-8-16(17)18/h5-9,12,15,19-20,22H,1-2,10-11H2,3-4H3/t15-,19+,20-,21-/m1/s1 |
| SMILES | C=C[C@]1(C)CC[C@H](C(=C)C)[C@@H](C2=CNC3=CC=CC=C23)[C@H]1N=C=S |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stratmann, Klemens; Moore, Richard E.; Bonjouklian, Rosanne; Deeter, Jack B.; Patterson, Gregory M. L.; Shaffer, Stacey; Smith, Charles D.; Smitka, Tim A. Welwitindolinones, Unusual Alkaloids from the Blue-Green Algae Hapalosiphon welwitschii and Westiella intricata. Relationship to Fischerindoles and Hapalinodoles. Journal of the American Chemical Society 1994 116 (22) 9935-9942. | ||
|---|---|---|---|
| DOI | 10.1021/ja00101a015 | PMID | - |
